N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]docosanamide
[CAS# 869501-30-4]

Identification

• Name: N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]docosanamide
• Synonyms: amphidinol 5
• Molecular Formula: C₄₀H₇₉NO₃
• Molecular Weight: 622.06
• CAS Registry Number: 869501-30-4
• SMILES: O=C(N[C@H]([C@H](O)/C=C/CCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCCCCCC
• InChI: 1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1
• InChIKey: KEPQASGDXIEOIL-GLQCRSEXSA-N

Properties

• Density: 0.909g/cm³ (Cal.)
• Boiling point: 731.793°C at 760 mmHg (Cal.)
• Flash point: 396.375°C (Cal.)
• Refractive index: 1.479 (Cal.)